ethyl 4-methyl-2-(2-phenylethynyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-(2-phenylethynyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-methyl-2-(2-phenylethynyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxylate CAS Name: 4-methyl-2-(2-phenylethynyl)-6-(3,4,5-trimethoxyphenyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-(2-phenylethynyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxylate Traditional Name: 4-methyl-2-(2-phenylethynyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C25H24N2O5 MolecularWeight: 432.46846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C)C#CC2=CC=CC=C2)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C)C#CC2=CC=CC=C2)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C25H24N2O5/c1-6-32-25(28)22-16(2)26-21(13-12-17-10-8-7-9-11-17)27-23(22)18-14-19(29-3)24(31-5)20(15-18)30-4/h7-11,14-15H,6H2,1-5H3